SCHEMBL2407534

SCHEMBL2407534

Cc1ccc(C(CC2CC2)C(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
POLB P06746 1/20 0.40
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
LMNA P02545 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
FFAR2 O15552 1/20 0.38
EPHX1 P07099 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C19 P33261 1/20 0.37
ACHE P22303 1/20 0.37
CNR2 P34972 1/20 0.36
PLAU P00749 1/20 0.36
HPN P05981 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
ALDH1A1 P00352 3/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2405158 0.85 ESR1 (0.41) LMNAFFAR2EPHX1CYP2C19CYP2C9
SCHEMBL27437633 0.83 EPHX1 (0.56) LMNAEPHX1CYP2C19MEN1KMT2A
SCHEMBL2405258 0.83 CA1 (0.42) ALOX5POLBEPHX1KMT2A
SCHEMBL2406789 0.83 SLC6A4 (0.40) FFAR2EPHX1MEN1KMT2A
SCHEMBL2404559 0.83 CNR2 (0.39) POLBFFAR2CNR2ALDH1A1
SCHEMBL19331722 0.82 ANPEP (0.44) FFAR2EPHX1MEN1KMT2A
SCHEMBL2404444 0.81 PARP1 (0.40) EPHX1L3MBTL1HSD17B2ICMT
SCHEMBL19347433 0.81 LMNA (0.49) LMNAALDH1A1
SCHEMBL2408900 0.80 TEAD1 (0.41) EPHX1
SCHEMBL2405759 0.78 CACNA2D1 (0.38) METAP2METAP1LMNAL3MBTL1CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 ALOX5 4011/4885POLB 4374/4885METAP2 1480/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.